(((1-Bromo-3-chloropropan-2-yl)oxy)methyl)benzene

Base Information

• Chemical Name: (((1-Bromo-3-chloropropan-2-yl)oxy)methyl)benzene
• CAS No.: 54307-67-4
• Molecular Formula: C10H12BrClO
• Molecular Weight: 263.562
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80392758
• Nikkaji Number: J2.057.397J
• Mol file: 54307-67-4.mol

Synonyms:54307-67-4;(((1-bromo-3-chloropropan-2-yl)oxy)methyl)benzene;(1-Bromomethyl-2-chloro-ethoxymethyl)-benzene;((1-BROMO-3-CHLOROPROPAN-2-YLOXY)METHYL)BENZENE;(1-bromo-3-chloropropan-2-yl)oxymethylbenzene;{[(1-BROMO-3-CHLOROPROPAN-2-YL)OXY]METHYL}BENZENE;C10H12BrClO;SCHEMBL871423;DTXSID80392758;BKTNVCYQDKDAQE-UHFFFAOYSA-N;1-chloro-2-benzyloxy-3-bromopropane;MFCD02685137;1-Bromo-2-benzyloxy-3-chloro-propane;AKOS000282894;AKOS024341326;SB37597;1-Bromo-2-(benzyloxy)-3-chloropropane;CS-0139610;[2-bromo-1-(chloromethyl)ethoxy]methylbenzene;(1-(bromomethyl)2-chloro-ethoxymethyl)-benzene;[1-(bromomethyl)-2-chloro-ethoxy]methylbenzene;{[2-bromo-1-(chloromethyl)ethoxy]methyl}benzene;A830092

Chemical Property of (((1-Bromo-3-chloropropan-2-yl)oxy)methyl)benzene

Chemical Property:

• Boiling Point: 146-150 °C(Press: 5 Torr)
• PSA: 9.23000
• Density: 1.412±0.06 g/cm3(Predicted)
• LogP: 3.20550
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 261.97601
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

97% purity ^*data from raw suppliers

((1-Bromo-3-chloropropan-2-yloxy)methyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(CCl)CBr

Technology Process of (((1-Bromo-3-chloropropan-2-yl)oxy)methyl)benzene

There total 2 articles about (((1-Bromo-3-chloropropan-2-yl)oxy)methyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

benzyl bromide (100-39-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-bromo-2-benzyloxy-3-chloropropane (54307-67-4)

Guidance literature:

With HgCl; at 150 ℃; for 12h;

DOI:10.1016/j.bmcl.2010.02.051

Reference yield:

→ 1-bromo-2-benzyloxy-3-chloropropane (54307-67-4)

Guidance literature:

Reference yield: 95.0%

1-bromo-2-benzyloxy-3-chloropropane (54307-67-4) + diethyl malonate (105-53-3) → diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate (54166-15-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 10h; Reflux;

upstream raw materials:

benzyl bromide

epichlorohydrin

Downstream raw materials:

diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate

3-(benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid

ethyl 3-(benzyloxy)-1-<<(tert-butyloxy)carbonyl>amino>cyclobutane-1-carboxylate

1-amino-3-benzyloxycyclobutane-1-carboxylic acid